Molecule ID: mol8538
SMILES: N=C(N)NOCC(=O)O
InChI: InChI=1S/C3H7N3O3/c4-3(5)6-9-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.68 | IUPAC digitized pKa | 1 » 0 |
| 2.68 | AttenGpKa training set | 1 » 0 |
| 2.69 | Datawarrior | 1 » 0 |
| 2.69 | OCHEM | 1 » 0 |
| 7.51 | IUPAC digitized pKa | 0 » -1 |
| 7.51 | AttenGpKa training set | 0 » -1 |
| 7.58 | OCHEM | 0 » -1 |
| 7.58 | Datawarrior | 0 » -1 |